N-Phenylanthranilic Acid

C13H11NO2 — CID 4386

IUPAC2-anilinobenzoic acid
SMILESC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
InChIInChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
InChIKeyZWJINEZUASEZBH-UHFFFAOYSA-N
MW213.23 g/mol
LogP4.40
Rot. Bonds3

About N-Phenylanthranilic Acid

N-Phenylanthranilic Acid (PubChem CID 4386) has the molecular formula C13H11NO2 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-anilinobenzoic acid.

Molecular Properties

Compound NameN-Phenylanthranilic Acid
PubChem CID4386
Molecular FormulaC13H11NO2
Molecular Weight213.23 g/mol
Exact Mass213.08
IUPAC Name2-anilinobenzoic acid
SMILESC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
InChIInChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
InChIKeyZWJINEZUASEZBH-UHFFFAOYSA-N
XLogP4.40
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity236

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Anthranilic Acid
CID 227
Mefenamic Acid
CID 4044
Flufenamic Acid
CID 3371
Methyl N-methylanthranilate
CID 6826
Meclofenamic Acid
CID 4037
Tolfenamic Acid
CID 610479
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
N-Methylanthranilic acid
CID 67069
Methyl n-acetylanthranilate
CID 17623
Ethyl N-methylanthranilate
CID 101365
Phthalanilic acid
CID 78458

Frequently Asked Questions

What is the IUPAC name of N-Phenylanthranilic Acid?
The IUPAC name of N-Phenylanthranilic Acid (CID 4386) is 2-anilinobenzoic acid.
What is the SMILES notation for N-Phenylanthranilic Acid?
The canonical SMILES for N-Phenylanthranilic Acid is C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O.
What is the InChIKey of N-Phenylanthranilic Acid?
The InChIKey is ZWJINEZUASEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16).
What are the key properties of N-Phenylanthranilic Acid?
N-Phenylanthranilic Acid has a molecular weight of 213.23 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-Phenylanthranilic Acid is sourced from PubChem (CID 4386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).